SCHEMBL3406334

SCHEMBL3406334

NCC1(S(=O)(=O)c2ccccc2)CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
MCOLN3 Q8TDD5 1/20 0.58
HTR7 P34969 10/20 0.50
DPP4 P27487 1/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
RORC P51449 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3406778 0.82 KMT2A (0.61) GAAMCOLN3ITGB1ITGA4CA12
SCHEMBL8394064 0.81 GAA (0.58) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL8396373 0.80 GAA (0.56) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL8392589 0.80 GAA (0.56) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL3409422 0.80 GAA (0.43) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL8391526 0.78 HTR7 (0.54) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL1103915 0.77 GAA (0.52) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL15916232 0.76 CA1 (0.47) GAAMCOLN3DPP4ITGB1ITGA4
SCHEMBL3193854 0.74 GAA (1.00) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL8394591 0.73 GAA (0.52) GAAMCOLN3HTR7HTR1AHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200979-B1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2012-12-12 EP disclosed
US-8283378-B2 Phenylurea inhibitors of the SOAT-1 enzyme and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-09 US disclosed
US-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 US disclosed
EP-2200979-A1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2010-06-30 EP disclosed
WO-2009030752-A1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, ACAT2 GAA 170/4885MCOLN3 2625/4885HTR7 4362/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.